3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one

C10H20N2O3 — CID 106246688

IUPAC3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one
SMILESCOCC(O)CCNC1CCN(C)C1=O
InChIInChI=1S/C10H20N2O3/c1-12-6-4-9(10(12)14)11-5-3-8(13)7-15-2/h8-9,11,13H,3-7H2,1-2H3
InChIKeyWOGHDBSQPXPMEW-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.80
Rot. Bonds6

About 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one

3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106246688) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one
PubChem CID106246688
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one
SMILESCOCC(O)CCNC1CCN(C)C1=O
InChIInChI=1S/C10H20N2O3/c1-12-6-4-9(10(12)14)11-5-3-8(13)7-15-2/h8-9,11,13H,3-7H2,1-2H3
InChIKeyWOGHDBSQPXPMEW-UHFFFAOYSA-N
XLogP-0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-3-octoxypropyl)amino]-1-methylpyrrolidin-2-one
CID 106256661
1-methyl-3-(3-propoxypropylamino)pyrrolidin-2-one
CID 82944318
3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one
CID 107851756
1-(1-hydroxy-3-methoxypropan-2-yl)-3-(propylamino)pyrrolidin-2-one
CID 106187223
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
CID 106237309
4-[(3-hydroxy-4-methoxybutyl)amino]piperidine-1-carboxamide
CID 113349364
3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
CID 106133454
methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate
CID 106256600
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106310259
1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
2,2-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanamide
CID 106275991
methyl (2R)-2-cyclopropyl-2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]acetate
CID 99777253

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one (CID 106246688) is 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one is COCC(O)CCNC1CCN(C)C1=O.
What is the InChIKey of 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is WOGHDBSQPXPMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12-6-4-9(10(12)14)11-5-3-8(13)7-15-2/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one?
3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106246688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).